SCHEMBL1388300

SCHEMBL1388300

Clc1ccc(CN2CCC(c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 14/20 0.56
▸ DRD4 P21917 14/20 0.56
▸ DRD3 P35462 14/20 0.56
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SIGMAR1 Q99720 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9202150 0.87 DRD2 (0.57) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388432 0.86 DRD4 (0.54) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388783 0.86 DRD2 (0.61) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388750 0.84 DRD2 (0.66) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388458 0.84 DRD2 (0.68) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9202145 0.84 SIGMAR1 (0.55) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388408 0.82 DRD2 (0.59) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9195679 0.81 DRD2 (0.52) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388639 0.81 DRD2 (0.70) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1388723 0.81 DRD2 (0.58) DRD2DRD4DRD3MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 — — EP claimed
JP-H08502508-A — — 1996-03-19 — — JP claimed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 — — EP claimed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 — — WO claimed
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 — — EP disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 — — US disclosed
US-5631269-A Dopamine receptor subtype ligands MERCK SHARP & DOHME LIMITED (GB) 1997-05-20 — — US disclosed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 — — EP disclosed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 — — WO disclosed
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